Geometry & MOs

Info

ID:	178254
PubChem CID:	76304879
Reduced:	SN3O3C27H31 (1)
Stoich.:	AB3C3D27E31 (1)
Weight, g/mol:	452.224597
ΔH_f, kcal/mol:	-33.49
Dipole, Da:	6.34
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)C=CC(=O)N3CCN(CC3)CCC4=CC=C(C=C4)OC

DOS

IR

Vibrations